7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one

C15H17BrFNO — CID 106986588

IUPAC7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC1CCCC(C2C(=O)Nc3c(Br)cc(F)cc32)C1
InChIInChI=1S/C15H17BrFNO/c1-8-3-2-4-9(5-8)13-11-6-10(17)7-12(16)14(11)18-15(13)19/h6-9,13H,2-5H2,1H3,(H,18,19)
InChIKeyRLQHDSRWUYAJQQ-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.45
Rot. Bonds1

About 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one

7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one (PubChem CID 106986588) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one
PubChem CID106986588
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC1CCCC(C2C(=O)Nc3c(Br)cc(F)cc32)C1
InChIInChI=1S/C15H17BrFNO/c1-8-3-2-4-9(5-8)13-11-6-10(17)7-12(16)14(11)18-15(13)19/h6-9,13H,2-5H2,1H3,(H,18,19)
InChIKeyRLQHDSRWUYAJQQ-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986568
7-bromo-3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986994
3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one
CID 106986942
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
3-(3-methylcyclopentyl)-7-(trifluoromethoxy)-1,3-dihydroindol-2-one
CID 106986949
7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986686
(3S,5S)-3-amino-7,9-difluoro-5-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 130317511
3-methyl-4-(3-methylcyclohexyl)piperidine-2,6-dione
CID 79317949
6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
CID 114672162
7-bromo-3-(4-tert-butylcyclohexyl)-5-fluoro-2,3-dihydro-1H-indole
CID 106986130
2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
CID 115510048
2-amino-5,7-difluoro-1a,2,4,8b-tetrahydro-1H-cyclopropa[d][1]benzazepin-3-one
CID 130317310

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one (CID 106986588) is 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one is CC1CCCC(C2C(=O)Nc3c(Br)cc(F)cc32)C1.
What is the InChIKey of 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one?
The InChIKey is RLQHDSRWUYAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-8-3-2-4-9(5-8)13-11-6-10(17)7-12(16)14(11)18-15(13)19/h6-9,13H,2-5H2,1H3,(H,18,19).
What are the key properties of 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one?
7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one has a molecular weight of 326.21 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3-(3-methylcyclohexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).